HANNA: Hard-constraint Neural Network for Consistent Activity Coefficient Prediction
☆25Jan 21, 2026Updated 5 months ago
Alternatives and similar repositories for HANNA
Users that are interested in HANNA are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Automagically resolve the best structure for molecules across several databases from identifiers☆46Jun 16, 2026Updated 2 weeks ago
- Modeling transport properties of fluids (viscosity, thermal conductivity, diffusion coefficients) based on entropy scaling and the Chapma…☆17Jun 12, 2026Updated 3 weeks ago
- A Python library designed to swiftly and effortlessly obtain the UNIFAC-like groups from molecules by their names and subsequently integr…☆34Updated this week
- ☆24Jun 9, 2026Updated 3 weeks ago
- ☆108Dec 10, 2025Updated 6 months ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- A Julia based simulation framework for thermodynamic cycles.☆36Jun 13, 2026Updated 3 weeks ago
- A smile is all you need: Predicting limiting activity coefficients from SMILES with natural language processing☆23Sep 2, 2024Updated last year
- FeOs - A Framework for Equations of State and Classical Density Functional Theory☆191Updated this week
- tools to perform group contribution (GC) identification, given the SMILES of a compound☆21Jun 22, 2026Updated 2 weeks ago
- Functions implementing the PC-SAFT equation of state, including association, electrolyte and dipole terms☆57Sep 3, 2024Updated last year
- Open-source implementation of the IK-CAPE thermodynamic equation set for chemical process simulation☆24Dec 3, 2020Updated 5 years ago
- Julia interface to Thermo (github.com/CalebBell/thermo), a Python library for thermodynamics☆16Jun 10, 2026Updated 3 weeks ago
- Pairwise interaction segment activity coefficients, reference implementation in Python☆19Apr 27, 2024Updated 2 years ago
- Clapeyron provides a framework for the development and use of fluid-thermodynamic models, including SAFT, cubic, activity, multi-paramete…☆284Updated this week
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Two algorithms to fragment molecules into specified molecular subunits (e.g. functional groups)☆26Sep 23, 2025Updated 9 months ago
- This repository contains the training routines and the experiments presented in the paper "Graph Neural Networks for the prediction of in…☆14Jul 12, 2023Updated 2 years ago
- DESPASITO: Determining Equilibrium State and Parametrization Application for SAFT, Intended for Thermodynamic Output☆22Feb 6, 2025Updated last year
- A highly efficient, flexible, and accurate implementation of thermodynamic EOS powered by automatic differentiation☆82Jun 23, 2026Updated last week
- A repository for physico-chemical data extracted from the NIST Chemistry WebBook☆19May 20, 2026Updated last month
- Two algorithms to fragment molecules into specified molecular subunits (e.g. functional groups)☆35Feb 15, 2022Updated 4 years ago
- The Pitzer model for chemical activities and equilibria in aqueous solutions in Python☆18Apr 29, 2026Updated 2 months ago
- repository for Group-contribution based Graph neural Networks☆19Mar 27, 2026Updated 3 months ago
- ☆42Jun 17, 2026Updated 2 weeks ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Chemical equilibrium for electrolytes system in pure python.☆28Mar 29, 2022Updated 4 years ago
- Pure python package for electrolyte equilibrium calculation☆33Mar 20, 2025Updated last year
- ☆110Apr 24, 2026Updated 2 months ago
- Heatmap text in Julia.☆11Jul 3, 2025Updated last year
- A series of ipython notebooks with thermodynamic models for multiphase and multicomponent systems.☆19Jul 20, 2017Updated 8 years ago
- First-order optimization tools☆25Oct 2, 2023Updated 2 years ago
- Thermodynamic Equations of State, Fortran library with both automatic and anallytical derivation capabilities☆38Jun 27, 2026Updated last week
- Julia implementation of steam tables according to IAPWS Industrial Formulation (1997)☆15Apr 17, 2026Updated 2 months ago
- A code for calculating the standard state thermodynamic properties at a given temperature and pressure.☆33Jan 29, 2026Updated 5 months ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Fluid property diagrams☆41Apr 24, 2026Updated 2 months ago
- Advanced Chemical Engineering Thermodynamics☆25Dec 9, 2017Updated 8 years ago
- Mechanical Turk on your own machine for chemical literature annotation☆13Feb 17, 2022Updated 4 years ago
- Chemical graphical editor web application☆19Jul 31, 2022Updated 3 years ago
- Files associated with the AGA8 standard☆47Feb 20, 2025Updated last year
- Code for extrapolation in materials property prediction as proposed in "Known Unknowns: Out-of-Distribution Property Prediction in Materi…☆34Jan 16, 2026Updated 5 months ago
- A Benchmark Implementation of COSMO-SAC☆82Updated this week